SCHEMBL6185595

SCHEMBL6185595

CN(C)CCOc1ccc(CCc2cc(CCN)cc(CCC(=O)O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HRH3 Q9Y5N1 2/20 0.54
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
FFAR1 O14842 6/20 0.52
LTA4H P09960 2/20 0.47
PPARG P37231 2/20 0.46
FFAR4 Q5NUL3 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16689220 0.88 LMNA (0.69) LMNAL3MBTL1HRH3KEAP1NFE2L2
SCHEMBL23928219 0.83 HRH3 (0.77) HRH3KEAP1NFE2L2LTA4H
SCHEMBL6183446 0.81 HRH1 (0.51) LMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30876469 0.81 HRH3 (0.74) HRH3KEAP1NFE2L2LTA4H
SCHEMBL6185078 0.80 PPARG (0.53) LMNAL3MBTL1HRH3FFAR1LTA4H
SCHEMBL8478544 0.78 FFAR1 (0.71) LMNAL3MBTL1FFAR1LTA4HPPARG
SCHEMBL4842616 0.78 FFAR1 (0.61) LMNAL3MBTL1FFAR1FFAR4
SCHEMBL873847 0.77 HRH3 (0.68) LMNAL3MBTL1HRH3KEAP1NFE2L2
SCHEMBL6984230 0.77 TBXA2R (0.60) ALDH1A1
SCHEMBL6185574 0.76 HRH1 (0.52) LMNAKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1275641-B1 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-01-12 EP disclosed
US-6541471-B1 Useful as a TXA2 receptor antagonist and a 5-HT2 receptor antagonist LES LABORATOIRES SERVIER (FR) 2003-04-01 US disclosed
EP-1275641-A2 Benzenesulfonamide derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed